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Compound Detail

CHEMBL1383144

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CN1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1

Basic Information

ChEMBL ID CHEMBL1383144
Phase Preclinical
Structure Type MOL
InChI Key BGTVSCUIMOUGOF-UHFFFAOYSA-N
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
3.54
ALogP
5
HBA
1
HBD
55.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N5
MW 361.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.26

Activity Summary

EC50 5 meas. best 6.19
IC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.19 5.24 639.0 5
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
IC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine